SCHEMBL20721046

SCHEMBL20721046

Cc1cc(-c2nc3c(cc2Cl)N2CCC[C@@H](C2)N3C(=O)Nc2cccnc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 16/20 0.42
▸ HTR2A P28223 15/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19689779 0.95 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL17778603 0.92 ALDH1A1 (0.40) HTR2CHTR2AALDH1A1MAPTMAPK1
SCHEMBL17778625 0.89 ALDH1A1 (0.38) HTR2CHTR2AALDH1A1MAPTMAPK1
SCHEMBL17778720 0.87 HTR2C (0.45) HTR2CHTR2AHTR2B
SCHEMBL17768124 0.87 HTR2A (0.41) HTR2CHTR2A
SCHEMBL17778469 0.87 ALDH1A1 (0.42) HTR2CHTR2AALDH1A1MAPTLMNA
SCHEMBL16776482 0.87 ALDH1A1 (0.42) HTR2CHTR2AALDH1A1MAPTHTR2B
SCHEMBL19689818 0.87 HTR2A (0.40) HTR2CHTR2AMAPTHTR2BMAPK1
SCHEMBL17778706 0.87 HTR2A (0.40) HTR2CHTR2AMAPTHTR2BMAPK1
SCHEMBL17778764 0.86 HTR2A (0.43) HTR2CHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4746/4885HTR2A 4669/4885ALDH1A1 1067/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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